7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride

C23H26BrClN2O4 — CID 146052741

About 7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride

7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride (PubChem CID 146052741) has the molecular formula C23H26BrClN2O4 and a molecular weight of 509.83 g/mol. Its IUPAC name is 7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
• PubChem CID: 146052741
• Molecular Formula: C23H26BrClN2O4
• Molecular Weight: 509.83 g/mol
• Exact Mass: 508.08
• IUPAC Name: 7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
• SMILES: Cc1ccc(C(CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)N2CCC(C)CC2)o1.Cl
• InChI: InChI=1S/C23H25BrN2O4.ClH/c1-14-7-9-26(10-8-14)18(20-6-3-15(2)29-20)13-25-23(28)22-12-19(27)17-5-4-16(24)11-21(17)30-22;/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H,25,28);1H
• InChIKey: PUCNTTORVCBZQW-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 75.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.83
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride?

The IUPAC name of 7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride (CID 146052741) is 7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride.

What is the SMILES notation for 7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride?

The canonical SMILES for 7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride is Cc1ccc(C(CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)N2CCC(C)CC2)o1.Cl.

What is the InChIKey of 7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride?

The InChIKey is PUCNTTORVCBZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O4.ClH/c1-14-7-9-26(10-8-14)18(20-6-3-15(2)29-20)13-25-23(28)22-12-19(27)17-5-4-16(24)11-21(17)30-22;/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H,25,28);1H.

What are the key properties of 7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride?

7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride has a molecular weight of 509.83 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 146052741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).